SCHEMBL3488951

SCHEMBL3488951

Cc1ncc2c(c1OC(=O)Oc1c(C)ncc3c1CO[C@H]3c1ccc(Cl)cc1)CO[C@H]2c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL638386 1.00 MAPT (0.35) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL3491675 0.93 MAPT (0.33) MAPTKMT2AMAPK1
SCHEMBL3490683 0.92 ABCC1 (0.38) MAPTKMT2AMAPK1LMNAALDH1A1
SCHEMBL638387 0.92 MAPT (0.36) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL9662398 0.92 MAPT (0.36) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL3488954 0.92 MAPT (0.36) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL15850674 0.92 MAPT (0.34) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL3490680 0.91 MAPT (0.32) MAPTKMT2A
SCHEMBL637947 0.91 MAPT (0.34) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL638155 0.90 MAPT (0.31) MAPTKMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498605-B1 DIURETICS MERCK SHARP & DOHME (US) 2014-08-27 EP claimed
EP-2485734-B1 DIURETICS MERCK SHARP & DOHME (US) 2014-07-02 EP claimed
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP claimed
US-8354394-B2 Diuretics MERCK SHARP & DOHME CORP. (US) 2013-01-15 US claimed
US-20120208838-A1 DIURETICS MERCK SHARP & DOHME LLC 2012-08-16 US claimed
US-20120202845-A1 DIURETICS MERCK SHARP & DOHME LLC 2012-08-09 US claimed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US claimed
EP-2498605-B1 DIURETICS MERCK SHARP & DOHME (US) 2014-08-27 EP disclosed
EP-2485734-B1 DIURETICS MERCK SHARP & DOHME (US) 2014-07-02 EP disclosed
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-8354394-B2 Diuretics MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120208838-A1 DIURETICS MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120202845-A1 DIURETICS MERCK SHARP & DOHME LLC 2012-08-09 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 MAPT 4222/4885KMT2A 1778/4885MAPK1 1494/4885
US-20120202845-A1 DIURETICS REN, SLC5A1, AGTR1 MAPT 2720/4885KMT2A 3818/4885MAPK1 1115/4885
US-20120208838-A1 DIURETICS REN, AGTR1, AGTR2 MAPT 2882/4885KMT2A 3480/4885MAPK1 1728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.